2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine

C11H15N3S2 — CID 62409749

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCc1cc(SC(CN)c2cccs2)n(C)n1
InChIInChI=1S/C11H15N3S2/c1-8-6-11(14(2)13-8)16-10(7-12)9-4-3-5-15-9/h3-6,10H,7,12H2,1-2H3
InChIKeyGSOAHOOTHHPBND-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.58
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine (PubChem CID 62409749) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
PubChem CID62409749
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCc1cc(SC(CN)c2cccs2)n(C)n1
InChIInChI=1S/C11H15N3S2/c1-8-6-11(14(2)13-8)16-10(7-12)9-4-3-5-15-9/h3-6,10H,7,12H2,1-2H3
InChIKeyGSOAHOOTHHPBND-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine
CID 62410106
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62304285
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
CID 63538093
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
CID 63238348
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
CID 62409748
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
CID 64813400
2-(2,5-dimethylpyrazol-3-yl)sulfanylaniline
CID 62409911
(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
CID 105100495

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine (CID 62409749) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine is Cc1cc(SC(CN)c2cccs2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine?
The InChIKey is GSOAHOOTHHPBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8-6-11(14(2)13-8)16-10(7-12)9-4-3-5-15-9/h3-6,10H,7,12H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine has a molecular weight of 253.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62409749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).